Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 8/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | GRK2 | P25098 | 1/20 | 0.52 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28226345 | 0.80 | HPGD (0.72) | ALDH1A1MEN1KMT2AHPGDHTT | |
| SCHEMBL21011845 | 0.78 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2AHPGDHTT | |
| SCHEMBL13401905 | 0.77 | TDP1 (0.70) | ALDH1A1MEN1KMT2AHPGDRAB9A | |
| SCHEMBL15678792 | 0.77 | POLB (0.58) | ALDH1A1MEN1KMT2AHPGDHTT | |
| SCHEMBL629235 | 0.76 | ALDH1A1 (0.61) | ALDH1A1MEN1KMT2AHPGDHTT | |
| SCHEMBL12717314 | 0.75 | SMN1; SMN2 (0.64) | ALDH1A1HPGDHTTNPC1RAB9A | |
| SCHEMBL7783342 | 0.75 | EPHX1 (0.73) | ALDH1A1KMT2AHPGDHTTNPC1 | |
| SCHEMBL26746541 | 0.74 | ALDH1A1 (0.62) | ALDH1A1MEN1KMT2AHPGDHTT | |
| SCHEMBL23078942 | 0.72 | TMEM97 (0.57) | MEN1KMT2AHPGDNPC1RAB9A | |
| SCHEMBL6318345 | 0.72 | ALDH1A1 (0.59) | ALDH1A1MEN1KMT2AHPGDNPC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9757375-B2 | Compounds that inhibit human DNA ligases and methods of treating cancer | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2017-09-12 | — | — | US | disclosed |